N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide

C10H16ClN3O2S — CID 144834945

IUPACN-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide
SMILESCCN(C(=O)C(C)CS(C)=O)c1cn[nH]c1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-4-14(8-5-12-13-9(8)11)10(15)7(2)6-17(3)16/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyZUUAUKKFJZCMJF-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.43
Rot. Bonds5

About N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide

N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide (PubChem CID 144834945) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide
PubChem CID144834945
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide
SMILESCCN(C(=O)C(C)CS(C)=O)c1cn[nH]c1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-4-14(8-5-12-13-9(8)11)10(15)7(2)6-17(3)16/h5,7H,4,6H2,1-3H3,(H,12,13)
InChIKeyZUUAUKKFJZCMJF-UHFFFAOYSA-N
XLogP1.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide (CID 144834945) is N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide is CCN(C(=O)C(C)CS(C)=O)c1cn[nH]c1Cl.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide?
The InChIKey is ZUUAUKKFJZCMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-4-14(8-5-12-13-9(8)11)10(15)7(2)6-17(3)16/h5,7H,4,6H2,1-3H3,(H,12,13).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide?
N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide has a molecular weight of 277.78 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)-N-ethyl-2-methyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 144834945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).